cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C84H69F7N20O20S9 — CID 160623582

About cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 160623582) has the molecular formula C84H69F7N20O20S9 and a molecular weight of 2100.18 g/mol. Its IUPAC name is cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 160623582
• Molecular Formula: C84H69F7N20O20S9
• Molecular Weight: 2100.18 g/mol
• Exact Mass: 2098.24
• IUPAC Name: cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: CC(F)(F)CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.CC(F)(F)CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1.CC(F)(F)CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccncc2s1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1.O=C(NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)OC1CCC1
• InChI: InChI=1S/C18H15F2N3O4S2.C17H15F2N5O4S.C17H14F2N4O4S2.C17H14N4O4S2.C15H11FN4O4S2/c1-18(19,20)7-8-27-17(26)23-13(24)10-6-9-28-15(10)22-14(25)16-21-11-4-2-3-5-12(11)29-16;1-17(18,19)4-6-28-16(27)23-14(26)11-3-7-29-15(11)22-13(25)10-8-20-12-2-5-21-24(12)9-10;1-17(18,19)4-6-27-16(26)23-12(24)9-3-7-28-14(9)22-13(25)15-21-10-2-5-20-8-11(10)29-15;22-13(21-17(24)25-9-2-1-3-9)10-5-7-26-15(10)20-14(23)16-19-11-8-18-6-4-12(11)27-16;1-2-24-15(23)20-10(21)7-6-9(16)25-12(7)19-11(22)14-18-8-4-3-5-17-13(8)26-14/h2-6,9H,7-8H2,1H3,(H,22,25)(H,23,24,26);2-3,5,7-9H,4,6H2,1H3,(H,22,25)(H,23,26,27);2-3,5,7-8H,4,6H2,1H3,(H,22,25)(H,23,24,26);4-9H,1-3H2,(H,20,23)(H,21,22,24);3-6H,2H2,1H3,(H,19,22)(H,20,21,23)
• InChIKey: RGZWWCGUYAUMEE-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 542.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2100.18
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The IUPAC name of cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 160623582) is cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

What is the SMILES notation for cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The canonical SMILES for cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CC(F)(F)CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.CC(F)(F)CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1.CC(F)(F)CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccncc2s1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1.O=C(NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)OC1CCC1.

What is the InChIKey of cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The InChIKey is RGZWWCGUYAUMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O4S2.C17H15F2N5O4S.C17H14F2N4O4S2.C17H14N4O4S2.C15H11FN4O4S2/c1-18(19,20)7-8-27-17(26)23-13(24)10-6-9-28-15(10)22-14(25)16-21-11-4-2-3-5-12(11)29-16;1-17(18,19)4-6-28-16(27)23-14(26)11-3-7-29-15(11)22-13(25)10-8-20-12-2-5-21-24(12)9-10;1-17(18,19)4-6-27-16(26)23-12(24)9-3-7-28-14(9)22-13(25)15-21-10-2-5-20-8-11(10)29-15;22-13(21-17(24)25-9-2-1-3-9)10-5-7-26-15(10)20-14(23)16-19-11-8-18-6-4-12(11)27-16;1-2-24-15(23)20-10(21)7-6-9(16)25-12(7)19-11(22)14-18-8-4-3-5-17-13(8)26-14/h2-6,9H,7-8H2,1H3,(H,22,25)(H,23,24,26);2-3,5,7-9H,4,6H2,1H3,(H,22,25)(H,23,26,27);2-3,5,7-8H,4,6H2,1H3,(H,22,25)(H,23,24,26);4-9H,1-3H2,(H,20,23)(H,21,22,24);3-6H,2H2,1H3,(H,19,22)(H,20,21,23).

What are the key properties of cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 2100.18 g/mol, XLogP of 17.85, 26 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;3,3-difluorobutyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 160623582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).